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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -161.1725365 | -161.4016303 | 0.2290938 | 0.0000000 | 161.4016303 | ||||||
| cm-1 | 131.2 | 517.9 | -386.7 | ||||||||
| eV | -4385.728 | 0.016 | -4385.711 | -4391.962 | 0.064 | -4391.898 | 6.234 | -0.048 | 6.186 | 0.000 | 4391.962 |